2-benzamido-6-cyano-2-(phenylmethyl)hexanoic acid

Systemtic Name: 2-benzamido-6-cyano-2-(phenylmethyl)hexanoic acid Openeye Name: 2-benzamido-2-benzyl-6-cyano-hexanoic acid CAS Name: 2-benzamido-6-cyano-2-(phenylmethyl)hexanoic acid IUPAC Name: 2-benzamido-2-benzyl-6-cyanohexanoic acid Traditional Name: 2-benzamido-2-benzyl-6-cyano-hexanoic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CCCCC#N)(C(=O)O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CC(CCCCC#N)(C(=O)O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H22N2O3/c22-15-9-3-8-14-21(20(25)26,16-17-10-4-1-5-11-17)23-19(24)18-12-6-2-7-13-18/h1-2,4-7,10-13H,3,8-9,14,16H2,(H,23,24)(H,25,26)